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147893

Sigma-Aldrich

α,α,α-Trichlorotoluene

98%

Synonym(s):

(Trichloromethyl)benzene, Benzotrichloride

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About This Item

Linear Formula:
C6H5CCl3
CAS Number:
98-07-7
Molecular Weight:
195.47
Beilstein/REAXYS Number:
508152
EC Number:
202-634-5
MDL number:
MFCD00000786
UNSPSC Code:
12352100
PubChem Substance ID:
24848863
NACRES:
NA.22

vapor density

6.77 (vs air)

vapor pressure

0.2 mmHg ( 20 °C)

assay

98%

form

liquid

autoignition temp.

411 °F

refractive index

n20/D 1.557 (lit.)

bp

219-223 °C/760 mmHg (lit.)
90-91 °C/15 mmHg (lit.)

mp

−7.5-−7 °C (lit.)

solubility

alcohol: soluble
benzene: soluble
diethyl ether: soluble
organic solvents: soluble
water: insoluble

density

1.38 g/mL at 25 °C (lit.)

SMILES string

ClC(Cl)(Cl)c1ccccc1

InChI

1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChI key

XEMRAKSQROQPBR-UHFFFAOYSA-N

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General description

FT-IR and FT-Raman spectra of α,α,α-trichlorotoluene has been studied.

Application

α,α,α-Trichlorotoluene was used in determination of chlorinated toluenes in effluents of wastewater treatment plants and textile industries by closed loop stripping analysis.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 1B - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP7257
MKCN8050
MKCN2172
SHBK7774
SHBK3178

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Isabel Martí et al.
Journal of chromatography. A, 1077(1), 68-73 (2005-07-02)
A study of the occurrence of chlorinated toluenes in Llobregat river (NE Spain) has been carried out. These compounds are currently being used in local textile industries as dye carriers and have replaced the common trichlorobenzene mixtures. Closed loop stripping
Benzotrichloride.
Report on carcinogens : carcinogen profiles, 12, 66-67 (2011-08-19)
A mortality study of workers in a factory manufacturing chlorinated toluenes.
T Sorahan et al.
The Annals of occupational hygiene, 27(2), 173-182 (1983-01-01)
H Yoshimura et al.
Sangyo igaku. Japanese journal of industrial health, 28(5), 352-359 (1986-09-01)
Benzotrichloride and benzoyl chloride are suspected to be causative agents of lung cancer and maxillary malignant lymphoma of workers employed in factories producing benzoyl chloride. The present study was undertaken to evaluate the carcinogenicity in mice of inhaling benzotrichloride and
K Fukuda et al.
Industrial health, 31(3), 127-131 (1993-01-01)
Epidemiological studies suggest that benzotrichloride (BTC) is a human carcinogen. In the present study, BTC was tested to evaluate its ability to induce lung tumors as a result of systemic exposure. Administration of BTC by gastric intubation, 2.0-0.0315 microliters/mouse (4
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